Maxwell-TDDFT simulation: method and applications

Kazu Yabana

Center for Computational Sciences, University of Tsukuba

For a strong pulsed light, coupling of light electromagnetic field and motion of electrons in matter cannot be treated by perturbation theory. Theory and computations solving simultaneously the coupled system of Maxwell’s equations for light propagation and time-dependent Schrodinger equation for electronic motion are required. In my presentation, I will present our efforts in this direction based on time-dependent density functional theory. I first explain two schemes to describe the coupled motion, corresponding to macroscopic and microscopic electromagnetism. We then show some applications of the scheme, including (1) a systematic view for the change of optical response from linear regime in which the band structures of materials determine, to extremely nonlinear regimes where plasma reflection dominates. (2) generation and propagations of high harmonics from solids, and (3) nonlinear light propagation at oblique incidence.

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